(3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate

C14H19F3O3SSi — CID 11703091

IUPAC(3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCCC2
InChIInChI=1S/C14H19F3O3SSi/c1-22(2,3)13-9-11-7-5-4-6-10(11)8-12(13)20-21(18,19)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyLJXKNFRZFYVVHD-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.34
Rot. Bonds3

About (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate

(3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate (PubChem CID 11703091) has the molecular formula C14H19F3O3SSi and a molecular weight of 352.45 g/mol. Its IUPAC name is (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate
PubChem CID11703091
Molecular FormulaC14H19F3O3SSi
Molecular Weight352.45 g/mol
Exact Mass352.08
IUPAC Name(3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate
SMILESC[Si](C)(C)c1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCCC2
InChIInChI=1S/C14H19F3O3SSi/c1-22(2,3)13-9-11-7-5-4-6-10(11)8-12(13)20-21(18,19)14(15,16)17/h8-9H,4-7H2,1-3H3
InChIKeyLJXKNFRZFYVVHD-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Naphthyl trifluoromethanesulfonate
CID 378884
2-Naphthyl Trifluoromethanesulfonate
CID 4546341
Naphthalen-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 429739
1-(Trimethylsilyl)-2-naphthyl Trifluoromethanesulfonate
CID 11078565
4-Methyl-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate
CID 11449792
3-(Trimethylsilyl)-2-naphthyl Trifluoromethanesulfonate
CID 44629848
2-Naphthyl methanesulfonate
CID 575520
3,6-Bis(trimethylsilyl)naphthalene-2,7-diyl Bis(trifluoromethanesulfonate)
CID 101509494
[5,5,8,8-Tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl] trifluoromethanesulfonate
CID 10501390
(3-Iodo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl) trifluoromethanesulfonate
CID 10766458
(4-Butyl-3,5-dimethylphenyl) trifluoromethanesulfonate
CID 134968803
[3,5-Dimethyl-4-(trimethylsilylmethyl)phenyl] trifluoromethanesulfonate
CID 162409965

Frequently Asked Questions

What is the IUPAC name of (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate?
The IUPAC name of (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate (CID 11703091) is (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate.
What is the SMILES notation for (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate?
The canonical SMILES for (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate is C[Si](C)(C)c1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCCC2.
What is the InChIKey of (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate?
The InChIKey is LJXKNFRZFYVVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3SSi/c1-22(2,3)13-9-11-7-5-4-6-10(11)8-12(13)20-21(18,19)14(15,16)17/h8-9H,4-7H2,1-3H3.
What are the key properties of (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate?
(3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate has a molecular weight of 352.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-yl) trifluoromethanesulfonate is sourced from PubChem (CID 11703091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).